Vitas-M small molecule compound
methyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-(prop-2-en-1-ylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981067
SMILES C=CCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccc(cc1)C(=O)OC)C(=O)OC)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c1-5-10-30-21-23-17-16(18(25)24-21)15(14(11(2)22-17)20(27)29-4)12-6-8-13(9-7-12)19(26)28-3/h5-9,15H,1,10H2,2-4H3,(H2,22,23,24,25)InChIKey
BMTRXELWISAPCL-UHFFFAOYSA-NSynonyms
876866-00-1876866001
C=CCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccc(cc1)C(=O)OC)C(=O)OC)C
CC1=C(C(C2=C(N1)NC(=NC2=O)SCC=C)C3=CC=C(C=C3)C(=O)OC)C(=O)OC
InChI=1SC21H21N3O5Sc15103021231716(18(25)2421)15(14(11(2)2217)20(27)294)126813(9712)19(26)283h5915H110H224H3(H222232425)
methyl5(4(methoxycarbonyl)phenyl)7methyl4oxo2(prop2en1ylsulfanyl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
methyl5(4methoxycarbonylphenyl)7methyl4oxo2prop2enylsulfanyl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
MFCD07803244
ZINC000008884071
ZINC000008884072
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